6VBH

Human XPG endonuclease catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115953
Spacegroup name	C 2 2 21
Unit cell lengths	64.438, 173.403, 101.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.833 - 1.995
R-factor	0.2211
Rwork	0.220
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q8k
RMSD bond length	0.013
RMSD bond angle	1.249
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (phenix-dev 2722)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	1.995	5.430	2.000
Rmerge	0.122	0.070	0.725
Rmeas	0.125	0.072	0.797
Rpim	0.029	0.018	0.319
Number of reflections	36003	2099	1276
<I/σ(I)>	11.6
Completeness [%]	92.2	100	66.5
Redundancy	13.4	17	4.5
CC(1/2)		0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	Mixed 1:1 with 40% AmSO4, 200 mM Imidizole/Malate Buffer pH 4.2,100 mM MgCl2
2	VAPOR DIFFUSION, HANGING DROP		288	Mixed 1:1 wit 24% AmSO4, 200 mM Imidizole/Malate Buffer pH 4.2, 250 mM MgCl2, 0.5 mM SmSO4, 10 mM DTT
3	VAPOR DIFFUSION, HANGING DROP		288	Mixed 1:1 with 32% AmSO4, 10 mM DTT, 200 mM Imidizole/Malate Buffer pH 4.2, and 50 mM MgCl2