4QHM

I3.1 (unbound) from CH103 Lineage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99987
Spacegroup name	P 31 1 2
Unit cell lengths	132.311, 132.311, 209.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.036 - 3.230
R-factor	0.2258
Rwork	0.224
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jan
RMSD bond length	0.004
RMSD bond angle	0.978
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.290
High resolution limit [Å]	3.230	8.750	3.230
Rmerge	0.114	0.039	0.650
Number of reflections	33930
<I/σ(I)>	5.7
Completeness [%]	98.9	100	97.6
Redundancy	1.9	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	100 mM sodium acetate, pH 5.0, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K