4ERN

Crystal structure of the C-terminal domain of human XPB/ERCC-3 excision repair protein at 1.80 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	38.260, 73.650, 84.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.553 - 1.800
R-factor	0.2028
Rwork	0.201
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fzl
RMSD bond length	0.011
RMSD bond angle	1.343
Data reduction software	MOSFLM (3.3.20)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.550	19.291	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.017	0.488
Total number of observations		3489	14414
Number of reflections	22258
<I/σ(I)>	20.7	31.5	1.6
Completeness [%]	98.2	94.2	97.2
Redundancy	4.7	4.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.55	298	0.1 M sodium acetate, pH 5.55, 0.2 M ammonium acetate, 27% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K