5V75

Structure of Haliangium ochraceum BMC-T HO-5816

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976484
Spacegroup name	P 2 21 21
Unit cell lengths	68.117, 126.106, 139.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.587 - 1.700
R-factor	0.2261
Rwork	0.226
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ht5
RMSD bond length	0.003
RMSD bond angle	0.587
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_2650: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.590	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.122	1.613
Number of reflections	131926	18813
<I/σ(I)>	21
Completeness [%]	99.4	97.9
Redundancy	14.8	14.8
CC(1/2)	0.999	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Na Acetate pH 5.1 1.6 M MgSO4