7QC8

HisF-C9A-D11E-V33A_L50H_I52H mutant in complex with Zn(II) from T. maritima

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	96.680, 96.680, 154.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.1393
Rwork	0.138
R-free	0.15920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qc3
RMSD bond length	0.008
RMSD bond angle	1.275
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.066	0.596
Number of reflections	39147	5862
<I/σ(I)>	25.3	4.4
Completeness [%]	97.4	99.4
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	100 mM TRIS, 23% PEG 3350